Metabolite Norzotepine

Name

Norzotepine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 317.83
Monoisotopic: 317.064113

Chemical Formula

C₁₇H₁₆ClNOS

InChI Key

OVVBIIBBRZVPAL-UHFFFAOYSA-N

InChI

InChI=1S/C17H16ClNOS/c1-19-8-9-20-15-10-12-4-2-3-5-16(12)21-17-7-6-13(18)11-14(15)17/h2-7,10-11,19H,8-9H2,1H3

IUPAC Name

[2-({6-chloro-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-9-yl}oxy)ethyl](methyl)amine

SMILES

[H]C1=C([H])C2=C(C([H])=C1[H])C([H])=C(OC([H])([H])C([H])([H])NC([H])([H])[H])C1=C(S2)C([H])=C([H])C(Cl)=C1[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0039000000-bded39a8ad6c3fc1890d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0019000000-6c3fd8dac120cd760d0e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-029i-1093000000-ad2a5f4e066e5290ba45
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-066u-1294000000-3632f831819f29690ebb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-022i-1290000000-4467ac79cbb29afcbd5a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-2090000000-37d6deffdc4af9e7bf3f

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	178.05241	predicted	DeepCCS 1.0 (2019)
[M+H]+	179.75156	predicted	DeepCCS 1.0 (2019)
[M+Na]+	185.86246	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties